SCHEMBL876022

SCHEMBL876022

Cn1nc(C(F)(F)F)c(C(=O)O)c1Oc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PTGER4 P35408 6/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
PTGER2 P43116 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL876577 0.85 MAPT (0.68) LMNANPSR1PTGER4MAPTKDM4E
SCHEMBL876923 0.84 LMNA (0.59) LMNANPSR1PTGER4MAPTKDM4E
SCHEMBL877289 0.84 PTGER4 (0.68) LMNANPSR1PTGER4MAPTKDM4E
SCHEMBL875886 0.84 KDM4E (0.70) LMNANPSR1PTGER4MAPTKDM4E
SCHEMBL876193 0.84 MAPT (0.52) LMNANPSR1PTGER4MAPTKDM4E
SCHEMBL876769 0.83 LMNA (0.66) LMNANPSR1PTGER4MAPTKDM4E
SCHEMBL9545283 0.82 PTGER4 (0.66) LMNANPSR1PTGER4MAPTKDM4E
SCHEMBL15249899 0.81 PTGER4 (0.79) LMNANPSR1PTGER4PTGER2
SCHEMBL15238615 0.80 PTGER4 (0.54) LMNANPSR1PTGER4MAPTKDM4E
SCHEMBL876384 0.79 PTGER4 (0.57) LMNANPSR1PTGER4MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619182-B1 PHARMACEUTICAL COMPOSITION EISAI R&D MAN CO LTD (JP) 2016-11-09 EP disclosed
EP-3061751-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2016-08-31 EP disclosed
US-9000024-B2 Pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-07 US disclosed
US-20140155452-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-05 US disclosed
US-20130237578-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 US disclosed
EP-2619182-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2013-07-31 EP disclosed
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140155452-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 LMNA 2386/4885NPSR1 807/4885PTGER4 147/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 LMNA 2386/4885NPSR1 807/4885PTGER4 147/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.